Deep-Blue Thermally Activated Delayed Fluorescence from a CF3-substituted Carbene-Metal-Amide Complex

IF 2.9 3区化学 Q3 CHEMISTRY, PHYSICAL

Physical Chemistry Chemical Physics Pub Date : 2025-06-11 DOI:10.1039/d5cp00824g

Alexander C. Brannan, Nguyen Le Phuoc, Mikko Linnolahti, Alexander S. Romanov

引用次数: 0

Abstract

The gold-based carbene-metal-amide (CMA) complex BICAuBGCF3 with a 2-(trifluoromethyl)-benzoguanidine amide (L) have been prepared in good yields and characterized. The CF3-substituted amide donor ligand resulted in 0.27 eV stabilization of the highest occupied molecular orbital (HOMO) and wide energy gap of 2.97 eV. In fluid media complex experience a dynamic behavior between two forms which reduces the blue luminescence quantum yield down to 43%. In solid state complex shows bright deep-blue thermally activated delayed fluorescence at 432 nm with 60% luminescence quantum yield thanks to small singlet triplet energy gap (ΔEST) down to 54 meV. The radiative rates (kr) are up to 1.4×106 s–1 in amorphous polystyrene media indicating BICAuBGCF3 complex as a promising material for optoelectronic applications.

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cf3取代卡宾-金属-酰胺配合物的深蓝色热激活延迟荧光

以2-（三氟甲基）-苯并胍酰胺(L)为原料制备了金基碳金属酰胺（CMA）配合物BICAuBGCF3，并对其进行了表征。cf3取代的酰胺供体配体使最高占据分子轨道（HOMO）稳定在0.27 eV，能隙宽达2.97 eV。在流体介质中，复合物经历了两种形式之间的动态行为，使蓝色发光的量子产率下降到43%。在固态配合物中，在432 nm处显示出明亮的深蓝色热激活延迟荧光，由于单线态三重态能隙小（ΔEST），发光量子产率为60%，低至54 meV。在非晶聚苯乙烯介质中的辐射率（kr）高达1.4×106 s-1，表明BICAuBGCF3配合物是一种很有前景的光电材料。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physical Chemistry Chemical Physics 化学-物理：原子、分子和化学物理

CiteScore

5.50

自引率

9.10%

发文量

2675

审稿时长

2.0 months

期刊介绍： Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.